Cas no 1197-83-7 (3-Azaspiro[5.6]dodecane,hydrochloride (1:1))

3-Azaspiro[5.6]dodecane hydrochloride (1:1) is a spirocyclic amine compound with a rigid bicyclic structure, offering unique steric and electronic properties for applications in pharmaceutical and organic synthesis. The hydrochloride salt enhances its stability and solubility, facilitating handling and reactivity in various chemical processes. Its spirocyclic framework is valuable for constructing complex molecular architectures, particularly in medicinal chemistry, where it may serve as a versatile scaffold for drug discovery. The compound's defined stereochemistry and high purity make it suitable for precise synthetic modifications. Its compatibility with diverse reaction conditions further underscores its utility as a building block in the development of bioactive molecules.
3-Azaspiro[5.6]dodecane,hydrochloride (1:1) structure
1197-83-7 structure
Product Name:3-Azaspiro[5.6]dodecane,hydrochloride (1:1)
CAS No:1197-83-7
MF:C11H22ClN
MW:203.75208234787
CID:227125
PubChem ID:24190322
Update Time:2025-05-21

3-Azaspiro[5.6]dodecane,hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 3-Azaspiro[5.6]dodecane,hydrochloride (1:1)
    • 3-azaspiro[5.6]dodecane,hydrochloride
    • NSC107109
    • NSC-107109
    • 3-azaspiro[5.6]dodecane;hydrochloride
    • BAA19783
    • DTXSID00637799
    • EN300-7354533
    • Z3680439606
    • 3-AZASPIRO[5.6]DODECANE HYDROCHLORIDE
    • 1197-83-7
    • 3-Azaspiro[5.6]dodecane--hydrogen chloride (1/1)
    • Inchi: 1S/C11H21N.ClH/c1-2-4-6-11(5-3-1)7-9-12-10-8-11;/h12H,1-10H2;1H
    • InChI Key: MHXRUZHBLQVVDV-UHFFFAOYSA-N
    • SMILES: Cl.N1CCC2(CC1)CCCCCC2

Computed Properties

  • Exact Mass: 167.16753
  • Monoisotopic Mass: 203.144
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 126
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12A^2

Experimental Properties

  • Density: 0.92
  • Boiling Point: 238.9°C at 760 mmHg
  • Flash Point: 95.4°C
  • Refractive Index: 1.492
  • PSA: 12.03
  • LogP: 3.84120

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Additional information on 3-Azaspiro[5.6]dodecane,hydrochloride (1:1)

3-Azaspiro[5.6]dodecane,hydrochloride (1:1) (CAS No. 1197-83-7): A Versatile Building Block in Modern Organic Synthesis

3-Azaspiro[5.6]dodecane,hydrochloride (1:1) (CAS No. 1197-83-7) is a unique spirocyclic amine compound that has gained significant attention in pharmaceutical and materials science research. This nitrogen-containing spiro compound features a distinctive structural motif where two rings share a single carbon atom, creating a three-dimensional architecture that makes it particularly valuable for drug discovery applications. The hydrochloride salt form enhances its stability and solubility, making it more practical for various synthetic applications.

The molecular structure of 3-Azaspiro[5.6]dodecane hydrochloride consists of a six-membered and a seven-membered ring connected through a spiro junction, with a nitrogen atom strategically positioned in one of the rings. This spirocyclic amine hydrochloride has become increasingly important in medicinal chemistry due to its ability to mimic bioactive conformations and improve pharmacokinetic properties of drug candidates. Researchers are particularly interested in how this rigid bicyclic structure can influence molecular recognition and binding affinity in biological systems.

Recent advances in synthetic methodology have made 3-Azaspiro[5.6]dodecane,hydrochloride (1:1) more accessible to researchers working on CNS-targeted therapeutics. The compound's spatial geometry and basic nitrogen center make it an excellent scaffold for developing modulators of neurotransmitter receptors. Several pharmaceutical companies have incorporated this spirocyclic building block into their drug discovery programs, particularly for neurological disorders where three-dimensional molecular diversity is crucial for blood-brain barrier penetration and target engagement.

Beyond pharmaceutical applications, CAS 1197-83-7 has shown promise in materials science as a precursor for advanced polymers. The spirocyclic structure imparts thermal stability and unique conformational properties to polymeric materials, making them suitable for high-performance applications. Researchers are exploring its use in creating shape-persistent porous materials for gas storage and separation technologies, responding to growing demands for sustainable energy solutions.

The synthesis of 3-Azaspiro[5.6]dodecane hydrochloride typically involves elegant ring-closing strategies that demonstrate modern organic chemistry's sophistication. Recent publications highlight improved synthetic routes that address previous challenges with regioselectivity and yield optimization, making this compound more available for research purposes. These methodological advances align with current trends in green chemistry, as newer protocols emphasize atom economy and reduced environmental impact.

Analytical characterization of 3-Azaspiro[5.6]dodecane,hydrochloride (1:1) requires specialized techniques due to its complex stereochemistry. Modern analytical laboratories employ advanced NMR methods, including 2D correlation spectroscopy, to fully elucidate its structure. The compound's purity is typically assessed using HPLC-MS techniques, which have become standard in quality control for pharmaceutical intermediates.

In the context of current research trends, this spirocyclic amine salt has attracted attention for its potential in addressing antibiotic resistance. Some studies suggest that incorporating such three-dimensional scaffolds into antimicrobial agents may help overcome existing resistance mechanisms. This application aligns with global health priorities and the urgent need for novel antibacterial strategies, making CAS 1197-83-7 particularly relevant to contemporary medicinal chemistry.

The commercial availability of 3-Azaspiro[5.6]dodecane hydrochloride has expanded significantly in recent years, reflecting growing demand from both academic and industrial researchers. Suppliers now offer various quantities with different purity grades, from milligram-scale for initial screening to kilogram quantities for process development. This availability supports the compound's increasing role in high-throughput screening libraries and fragment-based drug discovery programs.

Safety considerations for handling 3-Azaspiro[5.6]dodecane,hydrochloride (1:1) follow standard laboratory protocols for amine salts. While not classified as highly hazardous, proper personal protective equipment should be used, including gloves and eye protection. Storage recommendations typically suggest keeping the compound in a cool, dry environment protected from moisture, which could affect its stability over time.

Future research directions for CAS 1197-83-7 may explore its potential in asymmetric synthesis as a chiral auxiliary or catalyst. The compound's inherent stereogenicity offers opportunities for developing enantioselective transformations, which remain a hot topic in synthetic chemistry. Additionally, its application in metal-organic frameworks (MOFs) and other advanced materials continues to be an area of active investigation.

The intellectual property landscape surrounding 3-Azaspiro[5.6]dodecane hydrochloride has become increasingly complex as its utility grows. Recent patent literature reveals numerous applications claiming derivatives of this spirocyclic core structure for various therapeutic indications. This competitive environment underscores the compound's value in contemporary drug discovery and the importance of thorough prior art searches before embarking on research programs involving this scaffold.

From a regulatory perspective, 3-Azaspiro[5.6]dodecane,hydrochloride (1:1) is generally regarded as a research chemical rather than a controlled substance. However, researchers should always verify local regulations before purchasing or working with this material, as chemical control lists are periodically updated. The compound's status as an intermediate rather than a final pharmaceutical product typically places it outside stringent drug regulations.

In conclusion, 3-Azaspiro[5.6]dodecane hydrochloride (CAS No. 1197-83-7) represents an important class of spirocyclic compounds with wide-ranging applications in medicinal chemistry and materials science. Its unique structural features continue to inspire innovative research across multiple disciplines, addressing current scientific challenges from antibiotic resistance to sustainable materials development. As synthetic methods improve and biological understanding deepens, this compound will likely play an increasingly significant role in scientific advancement.

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